(2Z)-2-{(1R*,2R*,5S*)-2-[4-(3-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
(2Z)-2-{(1R*,2R*,5S*)-2-[4-(3-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
(2Z)-2-{(1R*,2R*,5S*)-2-[4-(3-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8015-4198 |
| Compound Name: | (2Z)-2-{(1R*,2R*,5S*)-2-[4-(3-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C15 H17 N7 O3 S2 |
| Smiles: | COc1cccc(c1)N1C(N([C@@H]2C/C([C@H]3OC[C@@H]2O3)=N/NC(N)=S)N=N1)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9763 |
| logD: | 1.9763 |
| logSw: | -2.6116 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.88 |
| InChI Key: | GQUKBEGEFBKXKJ-VKIDYLEASA-N |